Z. Li. Dataset, (2022)Related to: Li, Z.; Dittmann, D.; Rieg, C.; Benz, M.; Dyballa, M. Confinement and surface sites control methanol adsorbate stability on MFI zeolites, SBA-15, and a silica-supported heteropoly acid. Catalysis Science & Technology 2022, 12 (7), 2265-2277. doi: 10.1039/d1cy02330f.
C. Rieg. Dataset, (2021)Related to: C. Rieg, D. Dittmann, Z. Li, R. Lawitzki, K. Gugeler, S. Maier, G. Schmitz, J. Kästner, D. P. Estes, M. Dyballa, Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface. Chemistry - A Eurorean Journal 2021. doi: 10.1002/chem.202102076.
J. Kästner, M. Kesharwani, I. Elser, J. Musso, and M. Buchmeiser. Dataset, (2021)Related to: Kesharwani, M. K., Elser, I., Musso, J. V., Buchmeiser, M. R., & Kästner, J. “Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst.” Organometallics 39, 3146-3159 (2020). doi: 10.1021/acs.organomet.0c00311.
J. Kästner, and M. Kesharwani. Dataset, (2021)Related to: Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Mössbauer and Catalysis Approach. Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser. ACS Catalysis 2020, 10, 24, 14810-14823. doi: 10.1021/acscatal.0c03978.
P. Buchholz. Dataset, (2021)Related to: Patrick C. F. Buchholz, Bert van Loo, Bernard D. G. Eenink, Erich Bornberg-Bauer, Jürgen Pleiss: Äncestral sequences of a large promiscuous enzyme family correspond to bridges in sequence space in a network representation" (submitted).
P. Buchholz. Dataset, (2021)Related to: Orlando M., Buchholz P. C. F., Lotti M. & Pleiss J. (2020). The GH19 Engineering Database: an extended classification system for exploring the properties of sequence space and protein evolution. (submitted).
C. Zeil, and P. Buchholz. Dataset, (2020)Related to: Maike Gräff, Patrick C. F. Buchholz, Marilize Le Roes-Hill & Jürgen Pleiss (2020): Multicopper oxidases: Modular structure, sequence space and evolutionary relationships. (submitted).
J. Bruckner, and A. Beurer. Dataset, (2021)Related to: Johanna R. Bruckner, Jessica Bauhof, Jacqueline Gebhardt, Ann-Katrin Beurer, Yvonne Traa, and Frank Giesselmann. Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials. J. Phys. Chem. B 2021, 125, 12, 3197-3207. doi: 10.1021/acs.jpcb.0c11005.
T. Bauer. Dataset, (2019)Related to: Bauer, T. L., Buchholz, P. C. F. and Pleiss, J. (2019), The modular structure of α/β-hydrolases. FEBS J. doi: 10.1111/febs.15071.
H. Acikalin, F. Ziegler, and M. Buchmeiser. Dataset, (2021)Related to: H. Acikalin, F. Ziegler, D. Wang, M. R. Buchmeiser, A Hard Templating Approach to Functional Mesoporous Poly(norborn-2-ene)-Based Monolithic Supports. Macromolecular Chemistry and Physics, 2021, 222, 2100247. doi: 10.1002/macp.202100247.
P. Panyam, B. Atwi, F. Ziegler, W. Frey, M. Nowakowski, M. Bauer, and M. Buchmeiser. Dataset, (2022)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, and Michael R. Buchmeiser. Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
K. Gugeler, and J. Kästner. Dataset, (2022)Related to: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577.
M. Gültig, J. Range, B. Schmitz, and J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
M. Gültig, J. Range, B. Schmitz, and J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
M. Gültig, J. Range, B. Schmitz, and J. Pleiss. Software, (2022)Related to: Derlacki, Z. J., Easteal, A. J., Edge, A. V. J., Woolf, L. A., & Roksandic, Z. (1985). Diffusion coefficients of methanol and water and the mutual diffusion coefficient in methanol-water solutions at 278 and 298 K. The Journal of Physical Chemistry, 89(24), 5318-5322. doi: 10.1021/j100270a039.
M. Gültig, J. Range, B. Schmitz, and J. Pleiss. Software, (2022)Related to: D’Errico, G., Ortona, O., Capuano, F., & Vitagliano, V. (2004). Diffusion Coefficients for the Binary System Glycerol + Water at 25 °C. A Velocity Correlation Study. Journal of Chemical & Engineering Data, 49(6), 1665-1670. doi: 10.1021/je049917u.
M. Gültig, J. Range, B. Schmitz, and J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
J. Jung, P. Srinivasan, A. Forslund, and B. Grabowski. Dataset, (2023)Related to: J. H. Jung, P. Srinivasan, A. Forslund, and B. Grabowski, "High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", npj Comput. Mater. 9, 3 (2023). doi: 10.1038/s41524-022-00956-8.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2021)Related to: Adam et al.: Flanking sequences influence the activity of TET1 and TET2 methylcytosine dioxygenases and affect genomic 5hmC patterns. Communications Biology, 5:92 (2022). doi: 10.1038/s42003-022-03033-4.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2020)Related to: Sabrina Adam, Hiwot Anteneh, Maximilian Hornisch, Vincent Wagner, Jiuwei Lu, Nicole E. Radde, Pavel Bashtrykov, Jikui Song, Albert Jeltsch (2020) DNA sequence-dependent activity and base flipping mechanisms of DNMT1 regulate genome-wide DNA methylation. Nat Commun. 11(1):3723. doi: 10.1038/s41467-020-17531-8.
M. Dyballa. Dataset, (2023)Related to: Dittmann, D., Kaya, E., Dyballa, M., Desilicated ZSM-5 Catalysts: Properties and Ethanol to Aromatics (ETA) Performance. ChemCatChem 2023, e202300716. doi: 10.1002/cctc.202300716.
L. Hückmann, and J. Kästner. Dataset, (2023)Related to: Lukas Hückmann, Dr. Sonia Álvarez-Barcia, Marina Fuhrer, Prof. Dr. Bernd Plietker, and Prof. Dr. Johannes Kästner. Ruthenium-Catalyzed Secondary Amine Formation Studied by Density Functional Theory. ChemCatChem2021,13,1383-1388. doi: 10.1002/cctc.202001588.
J. Jung, A. Forslund, P. Srinivasan, and B. Grabowski. Dataset, (2023)Related to: J. H. Jung, A. Forslund, P. Srinivasan, and B. Grabowski, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). doi: 10.1103/PhysRevB.108.184107.
J. Musso, V. Gramm, S. Stein, W. Frey, and M. Buchmeiser. Dataset, (2023)Related to: Musso, J., Gramm, V., Stein, S., Frey, W. and Buchmeiser, M..R. (2022), Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air. Eur. J. Inorg. Chem. 2023, 26, e202200649. doi: 10.1002/ejic.202200649.
N. Segreto, and J. Kästner. Dataset, (2023)Related to: Nico Segreto, Tim M. Schwarz, Carolin A. Dietrich, Patrick Stender, Robin Schuldt, Guido Schmitz, and Johannes Kästner. Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields. J. Phys. Chem. A 2022, 126, 33, 5663-5671. doi: 10.1021/acs.jpca.2c04163.
P. Panyam, and M. Buchmeiser. Dataset, (2023)Related to: Pradeep K. R. Panyam and Michael R. Buchmeiser. Effect of liquid confinement on regioselectivity in the hydrosilylation of alkynes with cationic Rh(I) N-heterocyclic carbene catalysts. Faraday Discuss., 2023, 244, 39-50. doi: 10.1039/d2fd00152g.
A. Jeltsch, P. Bashtrykov, L. Dossmann, and M. Emperle. Dataset, (2024)Related to: Dossmann et al.: Specific DNMT3C flanking sequence preferences facilitate methylation of young murine retrotransposons. Submitted for publication.
T. Giess, S. Itzigehl, J. Range, J. Bruckner, and J. Pleiss. Dataset, (2022)Related to: Giess T., Itzigehl S., Range J. P., Bruckner J. R., Pleiss J., FAIR and scalable management of small-angle X-ray scattering data, 2023. doi: 10.1107/S1600576723001577.
P. Srinivasan, D. Demuriya, B. Grabowski, and A. Shapeev. Dataset, (2024)Related to: Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10, 41 (2024). doi: 10.1038/s41524-024-01222-9.
M. Deimling. Dataset, (2021)Related to: M. Deimling, S. R. Kousik, K. Abitaev, W. Frey, T. Sottmann, K. Koynov, S. Laschat, P. Atanasova (2021): Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes, ChemCatChem. doi: 10.1002/cctc.202001997.
M. Kirchhof. Dataset, (2022)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/d2cy01578a.
M. Benedikter. Dataset, (2021)Related to: M. J. Benedikter, J. V. Musso, W. Frey, R. Schowner, M. R. Buchmeiser, Group VI Metal Imido Alkylidene N-Heterocyclic Carbene Nitrile Complexes: Bench-Stable, Functional-Group-Tolerant Olefin Metathesis Catalysts. Angew. Chem. Int. Ed. 2021, 60, 1374. doi: 10.1002/anie.202011666.
P. Hauser, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577.
C. Lohoff. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
C. Lohoff. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
P. Buchholz. Dataset, (2021)Related to: Patrick C. F. Buchholz, Bert van Loo, Bernard D. G. Eenink, Erich Bornberg-Bauer, Jürgen Pleiss: Äncestral sequences of a large promiscuous enzyme family correspond to bridges in sequence space in a network representation" (submitted).
M. Benedikter. Dataset, (2021)Related to: Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser, Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis 2020 10 (24), 14810-14823. doi: 10.1021/acscatal.0c03978.
M. Dyballa. Dataset, (2020)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, and Michael R. Buchmeiser Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
M. Momin, J. Musso, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Mohasin Momin, Janis V. Musso, Wolfgang Frey, and Michael R. Buchmeiser. Tuning the Latent Behavior of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Dicyclopentadiene Polymerization, Organometallics 2021, 40, 2, 253-265. doi: 10.1021/acs.organomet.0c00740.
C. Dietrich, P. Collings, T. Sottmann, P. Rudquist, and F. Giesselmann. Dataset, (2020)Related to: Clarissa F. Dietrich, Peter J. Collings, Thomas Sottmann, Per Rudquist, and Frank Giesselmann, "Extremely Small Twist Elastic Constants in Lyotropic Nematic Liquid Crystals", Proceedings of the National Academy of Sciences of the United States of America (PNAS), 2020. doi: 10.1073/pnas.1922275117.
J. Musso, R. Schowner, L. Falivene, L. Cavallo, and M. Buchmeiser. Dataset, (2021)Related to: Musso, J.V., Schowner, R., Falivene, L., Frey, W., Cavallo, L. and Buchmeiser, M.R. (2021), Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem. doi: 10.1002/cctc.202101510.
M. Benedikter. Dataset, (2021)Related to: J. De Jesus Silva, D. Mance, M. Pucino, M. J. Benedikter, I. Elser, M. R. Buchmeiser, C. Copéret, Helv. Chim. Acta 2020, 103, e2000161. doi: 10.1002/hlca.202000161.
J. Groos, P. Hauser, M. Koy, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Groos, Jonas; Hauser, Philipp Manuel; Koy, Maximilian; Frey, Wolfgang; Buchmeiser, Michael Rudolf. Highly Reactive Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Catalysts for Alkyne Metathesis, Organometallics 2021, 40, 8, 1178-1184. doi: 10.1021/acs.organomet.1c00175.
C. Rieg. Dataset, (2021)Related to: C.Rieg, Z.Li, A.Kurtz, M.Schmidt, D.Dittmann, M.Benz, M.Dyballa, A method for the selective quantification of Bronsted acid sites on external surfaces and in mesopores of hierarchical zeolites, J. Phys. Chem. C 2021, 125, 515-525. doi: 10.1021/acs.jpcc.0c09384.
K. Gugeler, and J. Kästner. Dataset, (2022)Related to: Manuel Kirchhof, Karina Abitaev, Abdulwahab Abouhaileh, Katrin Gugeler, Wolfgang Frey, Anna Zens, Johannes Kästner, Thomas Sottmann, Sabine Laschat. Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions. Chem. Eur. J. 2021, 27, 16853-16870. doi: 10.1002/chem.202102752.
A. Forslund, J. Jung, P. Srinivasan, and B. Grabowski. Dataset, (2023)Related to: A. Forslund, J. H. Jung, P. Srinivasan, and B. Grabowski, Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). doi: 10.1103/PhysRevB.107.174309.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer, Derman Batman, Soeren M. Bauch, Sofia Kolin, Elliot Nicholas, Roland Schoch, Charlotte Vogler, Shravan R. Kousik, Anna Zens, Bernd Plietker, Petia Atanasova, Stefan Naumann, Matthias Bauer, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner and Sabine Laschat. Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., 2023,13, 3709-3724. doi: 10.1039/D3CY00381G.
A. Jeltsch, P. Bashtrykov, and C. Albrecht. Dataset, (2024)Related to: Albrecht, C.; Rajaram, N.; Broche, J.; Bashtrykov, P.; Jeltsch, A. Locus specific and stable DNA demethylation at the H19/IGF2 ICR1 by epigenome editing using a dCas9-SunTag system and the catalytic domain of TET1. Genes 2024, 15(1), 80. doi: 10.3390/genes15010080.
M. Buchmeiser, P. Probst, D. Wang, and P. Hauser. Dataset, (2023)Related to: Buchmeiser, M. R., Probst, P., Wang, D., Hauser, P., Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Macromol. Chem. Phys. 2023, 224, 2200350. doi: 10.1002/macp.202200350.
P. Walther, A. Krauß, and S. Naumann. Dataset, (2023)Related to: Patrick Walther, Annabelle Krauß, Dr. Stefan Naumann, Lewis Pair Polymerization of Epoxides via Zwitterionic Species as a Route to High-Molar-Mass Polyethers, Angewandte Chemie 2019 58 (31), 10737-10741. doi: 10.1002/anie.201904806.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner and Michael R.Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
S. Maier. Dataset, (2023)Related to: Maier, Sarah E.; Bunjaku, Osman; Kaya, Elif; Dyballa, Michael; Frey, Wolfgang; Estes, Deven P., Surface immobilized Cu-1,10-phenanthroline complexes with α-aminophosphonate groups in the 5-position as heterogenous catalysts for efficient atom-transfer radical cyclizations. Dalton Trans. 52 (2023), pp. 8442-8448. doi: 10.1039/D3DT01467C.
A. Jeltsch, P. Schnee, and J. Pleiss. Software, (2022)Related to: Alexandra Mack, Max Emperle, Philipp Schnee, Sabrina Adam, Jürgen Pleiss, Pavel Bashtrykov, & Albert Jeltsch: Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects. Submitted for publication.
A. Jeltsch, P. Schnee, and J. Pleiss. Software, (2022)Related to: Philipp Schnee, Michel Choudalakis, Sara Weirich, Mina S. Khella, Henrique Carvalho, Jürgen Pleiss & Albert Jeltsch (2022) Mechanistic basis of the increased methylation activity of the SETD2 protein lysine methyltransferase towards a designed super-substrate peptide. Communications Chemistry, 5, 139. doi: 10.1038/s42004-022-00753-w.
M. Buchmeiser, D. Imbrich, D. Wang, and S. Naumann. Dataset, (2023)Related to: Michael R. Buchmeiser, Dominik Imbrich, Dongren Wang, Stefan Naumann. Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes. J. Organomet. Chem. 2023, 991, 122674. doi: 10.1016/j.jorganchem.2023.122674.
K. Kundu, and M. Buchmeiser. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner, Michael R. Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
A. Jeltsch, P. Bashtrykov, S. Adam, A. Mack, and M. Emperle. Dataset, (2021)Related to: Alexandra Mack, Max Emperle, Philipp Schnee, Sabrina Adam, Jürgen Pleiss, Pavel Bashtrykov, & Albert Jeltsch: Preferential interaction of DNMT3A subunits containing the R882H cancer mutation leads to dominant changes of flanking sequence effects. Submitted for publication.
A. Jeltsch, P. Bashtrykov, M. Dukatz, and S. Adam. Dataset, (2022)Related to: Dukatz et al.: "DNA methyltransferase DNMT3A forms interaction networks with the CpG site and flanking sequence elements for efficient methylation", Journal of Biological Chemistry, 2022. doi: 10.1016/j.jbc.2022.102462.
A. Jeltsch, P. Bashtrykov, M. Emperle, S. Adam, and M. Dukatz. Dataset, (2020)Related to: Linfeng Gao, Max Emperle, Hidetaka Uryu, Sara A Grimm, Wendan Ren, Sabrina Adam, Dongliang Chen, Zhi-Min Zhang, Yiran Guo, Jiekai Yin, Michael Dukatz, Hiwot Anteneh, Renata Z. Jurkowska, Jiuwei Lu, Yinsheng Wang, Pavel Bashtrykov, Paul A Wade, Gang Greg Wang, Albert Jeltsch, Jikui Song. Comprehensive structure-function characterization of DNMT3B and DNMT3A reveals distinctive de novo DNA methylation mechanisms. Nat Commun. 2020 Jul 3;11(1):3355. doi: 10.1038/s41467-020-17109-4.
M. Benedikter, and I. Elser. Dataset, (2021)Related to: Iris Elser, Mathis J. Benedikter, Roman Schowner, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser, Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes Containing Pyrrolide Ligands: Access to Catalysts with Sterically Demanding Alkoxides. Organometallics 2019 38 (12), 2461-2471. doi: 10.1021/acs.organomet.9b00148.
C. Malacrida. Dataset, (2021)Related to: Claudia Malacrida, Yushi Lu, Klaus Dirnberger, Sergio Gamez-Valenzuela, M. Carmen Ruiz Delgado and Sabine Ludwigs. Towards highly conducting bicarbazole redox polymer films with plateau-like conductivities. J. Mater. Chem. C, 2020,8, 15393-15405. doi: 10.1039/D0TC03090B.
C. Dietrich, R. Schuldt, D. Born, H. Solodenko, G. Schmitz, and J. Kästner. Dataset, (2021)Related to: Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-8642. doi: 10.1021/acs.jpca.0c06887.
R. Schowner, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Schowner, R., Frey, W. and Buchmeiser, M.R. (2019), Understanding Synthetic Peculiarities of Cationic Molybdenum(VI) Imido Alkylidene N-Heterocyclic Carbene Complexes. Eur. J. Inorg. Chem., 2019, 1911-1922. doi: 10.1002/ejic.201900021.
K. Gugeler, and J. Kästner. Dataset, (2021)Related to: M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 2020, 39, 3131-3145. doi: 10.1021/acs.organomet.0c00310.
R. Schowner, I. Elser, and M. Benedikter. Dataset, (2021)Related to: R. Schowner, I. Elser, M. Benedikter, M. Momin, W. Frey, T. Schneck, L. Stöhr, M. R. Buchmeiser, Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalysts. Angew. Chem. Int. Ed. 2020, 59, 951. doi: 10.1002/anie.201913322.
M. Winkler. Dataset, (2021)Related to: M. Winkler, M. Schnierle, F. Ehrlich, K.-I. Mehnert, D. Hunger, A.M. Sheveleva, L. Burkhardt, M. Bauer, F. Tuna, M.R. Ringenberg, J. van Slageren: Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of (dppf)Fe(CO)3+/0, Inorg. Chem. 2021, 60, 5, 2856-2865. doi: 10.1021/acs.inorgchem.0c03259.
C. Rieg. Dataset, (2021)Related to: C. Rieg, D. Dittmann, Z. Li, A. Kurtz, I. Lorenz, D.P. Estes, M. Buchmeiser, M. Dyballa, M. Hunger (2021), "Noble metal location in porous supports determined by reaction with phosphines", Microporous and Mesoporous Materials, Volume 310, (110594). doi: 10.1016/j.micromeso.2020.110594.
M. Kirchhof. Dataset, (2021)Related to: M. Kirchhof, K. Gugeler, F. R. Fischer, M. Nowakowski, A. Bauer, S. Alvarez-Barcia, K. Abitaev, M. Schnierle, Y. Qawasmi, W. Frey, A. Baro, D. P. Estes, T. Sottmann, M. R. Ringenberg, B. Plietker, M. Bauer, J. Kästner, S. Laschat, Organometallics 2020, 39, 3131-3145. doi: 10.1021/acs.organomet.0c00310.
C. Vogler, S. Naumann, and J. Bruckner. Dataset, (2022)Related to: Charlotte Vogler, Stefan Naumann and Johanna R. Bruckner, Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores, Mol. Syst. Des. Eng., 2022. doi: 10.1039/D2ME00107A.
J. Musso, J. Silva, M. Benedikter, J. Groos, W. Frey, C. Coperet, and M. Buchmeiser. Dataset, (2022)Related to: Janis V. Musso, Jordan De Jesus Silva, Mathis J. Benedikter, Jonas Groos, Wolfgang Frey, Christophe Copéret and Michael R. Buchmeiser. Cationic molybdenum oxo alkylidenes stabilized by N-heterocyclic carbenes: from molecular systems to efficient supported metathesis catalysts, Chem. Sci, 2022. doi: 10.1039/d2sc03321f.
S. Emmerling, F. Ziegler, F. Fischer, R. Schoch, M. Bauer, B. Plietker, M. Buchmeiser, and B. Lotsch. Dataset, (2023)Related to: Sebastian T. Emmerling, Felix Ziegler, Felix R. Fischer, Roland Schoch, Matthias Bauer, Bernd Plietker, Michael R. Buchmeiser, and Bettina V. Lotsch. Olefin Metathesis in Confinement: Towards Covalent Organic Framework Scaffolds for Increased Macrocyclization Selectivity. Chem. Eur. J. 2022, 28, e2021041. doi: 10.1002/chem.202104108.
P. Probst, I. Elser, R. Schowner, M. Benedikter, and M. Buchmeiser. Dataset, (2021)Related to: Probst, P., Elser, I., Schowner, R., Benedikter, M. J., Buchmeiser, M. R., Regio- and Stereospecific Cyclopolymerization of α,ω-Diynes by Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Macromol. Rapid Commun. 2020, 41, 1900398. doi: 10.1002/marc.201900398.
M. Schnierle, S. Blickle, V. Filippou, and M. Ringenberg. Dataset, (2021)Related to: Marc Schnierle, Svenja Blickle, Vasileios Filippou, Mark R. Ringenberg: Tetrazine metallation boosts rate and regioselectivity of inverse electron demand Diels–Alder (iEDDA) addition of dienophiles. Chem. Commun., 2020, 56, 12033. doi: 10.1039/d0cc03805A.
C. Lohoff. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
I. Elser, R. Schowner, L. Stöhr, K. Herz, M. Benedikter, S. Sen, W. Frey, D. Wang, and M. Buchmeiser. Dataset, (2023)Related to: Iris Elser, Roman Schowner, Laura Stöhr, Katharina Herz, Mathis J. Benedikter, Suman Sen, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser. Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2022 41 (10), 1232-1248. doi: 10.1021/acs.organomet.2c00129.
C. Vogler. Dataset, (2023)Related to: Charlotte Vogler, Stefan Naumann. A simplified approach for the metal-free polymerization of propylene oxide. RSC Advances, 2020, 10, 43389-43393. doi: 10.1039/d0ra08970b.
R. Peters. Dataset, (2023)Related to: Hans, A. C., Becker, P. M., Haußmann, J., Suhr, S., Wanner, D. M., Lederer, V., Willig, F., Frey, W., Sarkar, B., Kästner, J., Peters, R., A Practical and Robust Zwitterionic Cooperative Lewis Acid/Acetate/Benzimidazolium Catalyst for Direct 1,4-Additions, Angew. Chem. Int. Ed. 2023, 62, e202217519. doi: 10.1002/anie.202217519.
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Erik J. Wimmer, Sina V. Klostermann, Mark Ringenberg, Johannes Kästner, Deven P. Estes. Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2. European Journal of Inorganic Chemistry 2023, 26, e202200709. doi: 10.1002/ejic.202200709.
C. Keßler, R. Schuldt, S. Emmerling, B. Lotsch, J. Kästner, J. Groß, and N. Hansen. Dataset, (2022)Related to: Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796. doi: 10.1016/j.micromeso.2022.111796.
A. Jeltsch, P. Bashtrykov, A. Bröhm, M. Dukatz, and S. Adam. Dataset, (2021)Related to: Bröhm et al., Methylation of recombinant mononucleosomes by DNMT3A demonstrates efficient linker DNA methylation and a role of H3K36me3. Commun. Biol. 5(1):192, 2022. doi: 10.1038/s42003-022-03119-z.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2020)Related to: Sabrina Adam, Hiwot Anteneh, Maximilian Hornisch, Vincent Wagner, Jiuwei Lu, Nicole E. Radde, Pavel Bashtrykov, Jikui Song, Albert Jeltsch: DNA sequence-dependent activity and base flipping mechanisms of DNMT1 regulate genome-wide DNA methylation. Nat Commun. 2020 Jul 24;11(1):3723. doi: 10.1038/s41467-020-17531-8.
A. Jeltsch, P. Bashtrykov, and S. Adam. Dataset, (2023)Related to: Sabrina Adam, Viviane Klingel, Nicole E Radde, Pavel Bashtrykov, Albert Jeltsch (2023) On the accuracy of the epigenetic copy machine: comprehensive specificity analysis of the DNMT1 DNA methyltransferase. Nucleic Acids Research, gkad465. doi: 10.1093/nar/gkad465.
M. Dyballa. Dataset, (2023)Related to: Peters, S., Rieg, C., Bartling, S., Parlinska-Wojtan, M., Dyballa, M., Wohlrab, S., Abdel-Mageed, A. M., Accessibility of Reactants and Neighborhood of Mo Species during Methane Aromatization Uncovered by Operando NAP-XPS and MAS NMR. ACS Catalysis 2023, 13, 13056-13070. doi: 10.1021/acscatal.3c02385.
C. Rieg, and M. Dyballa. Dataset, (2023)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/D2CY01578A.
V. Zaverkin, D. Holzmüller, L. Bonfirraro, and J. Kästner. Dataset, (2023)Related to: Viktor Zaverkin, David Holzmüller, Luca Bonfirraro, Johannes Kästner. Transfer learning for chemically accurate interatomic neural network potentials, Phys. Chem. Chem. Phys., 2023, 25, 5383-5396. doi: 10.1039/D2CP05793J.
C. Rieg, D. Dittmann, Z. Li, A. Kurtz, E. Kaya, S. Peters, B. Kunkel, M. Parlinska-Wojtan, S. Wohlrab, A. Abdel-Mageed and 1 other author(s). Dataset, (2022)Related to: Rieg, Carolin; Dittmann, Daniel; Li, Zheng; Kurtz, Alan; Kaya, Elif; Peters, Stefan; Kunkel, Benny; Parlinska-Wojtan, Magdalena; Wohlrab, Sebastian; Abdel-Mageed, Ali; Dyballa, Michaell. Introducing a Novel Method for Probing Accessibility, Local Environment and Spatial Distribution of Oxidative Sites on Solid Catalysts using Trimethylphosphine. Journal of Physical Chemistry C 2022, 126, 13213-13223. doi: 10.1021/acs.jpcc.2c04114.
A. Jeltsch, P. Bashtrykov, and N. Rajaram. Dataset, (2023)Related to: Rajaram N, Kouroukli AG, Bens S, Bashtrykov P, Jeltsch A. (2023) Development of super-specific epigenome editing by targeted allele-specific DNA methylation. Epigenetics & Chromatin 16, 41. doi: 10.1186/s13072-023-00515-5.
M. Dyballa. Dataset, (2023)Related to: Dittmann, D.; Kaya, E.; Strassheim, D.; Dyballa, M. Influence of ZSM-5 Crystal Size on Methanolto-Olefin (MTO) vs. Ethanol-to-Aromatics (ETA) Conversion.Molecules 2023, 28, 8046. doi: 10.3390/molecules28248046.
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351.
M. Gültig, J. Range, B. Schmitz, and J. Pleiss. Software, (2022)Related to: Mikhail, S. Z., & Kimel, W. R. (1961). Densities and Viscosities of Methanol-Water Mixtures. Journal of Chemical & Engineering Data, 6(4), 533-537. doi: 10.1021/je60011a015.
P. Hauser, J. Musso, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Hauser, P.M., Musso, J.V., Frey, W., and Buchmeiser, M.R. (2021), Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes via Hydrolysis of Cationic Alkylidyne Progenitors. Organometallics, 2021: 40, 927-937. doi: 10.1021/acs.organomet.1c00035.